Nature of electronic topological transition and superconductivity in bismuth under high pressure from ab initio random structure searching
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DOI: 10.1016/j.commatsci.2021.110806
Abstract: Abstract We have predicted the hexagonal close-packed (hcp) structure of bismuth (Bi) using ab initio random structure searching (AIRSS) at extreme conditions. The calculation, which included spin–orbit coupling, shows that the hcp structure is thermodynamically… read more here.
Keywords: initio random; high pressure; structure searching; random structure ... See more keywords